| SpectraBase Spectrum ID |
Jx7iKtVjf1V |
| Name |
Diphenoxylate MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [100.00-440.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)/p+1 |
| InChIKey |
UFIVBRCCIRTJTN-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[OH2+]C(=O)C1(CCN(CC1)CCC(C#N)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
